Basic information
- Standard SMILES
O=C(Nc1cc2ccccc2c(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1- InChIKey
UMPNPDBYIDATAM-UHFFFAOYSA-N- Molecular formula
- C20H13BrF2N2O3
- Average molar mass
- 447.2 g/mol
Names & identifiers
- Preferred name
- N-(1-Bromoisoquinolin-3-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
- IUPAC
- N-(1-bromoisoquinolin-3-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
Names & synonyms
N-(1-Bromoisoquinolin-3-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamideSCHEMBL4167618N-(1-bromoisoquinolin-3-yl)-1-(2,2-difluorobenzo[d][1,3]-dioxol-5-yl)cyclopropanecarboxamide
Database identifiers
- PubChem CID
- 57732996
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 633
Related reactions
27 records
Compound notes
Loading…